ACCESSION: MSBNK-Keio_Univ-KO002965
RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G037

CH$NAME: Gly-Gly
CH$NAME: Glycylglycine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈N₂O₃
CH$EXACT_MASS: 132.05349
CH$SMILES: NCC(=O)NCC(O)=O
CH$IUPAC: InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
CH$LINK: CAS 556-50-3
CH$LINK: CHEBI 17201
CH$LINK: KEGG C02037
CH$LINK: NIKKAJI J2.659J
CH$LINK: PUBCHEM SID:5129
CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90862194

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9000000000-6446e10ba29e02e8889d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  30.000 74257.5 7
  48.100 54455.5 5
  59.200 44554.5 4
  59.800 19802.0 2
  69.800 69307.0 7
  71.100 39604.0 4
  73.100 267327.0 27
  74.000 143564.5 14
  76.000 10004960.5 999
  77.100 9901.0 1
  87.300 227723.0 23
  88.200 529703.5 53
  101.200 39604.0 4
  104.900 34653.5 3
  115.200 29703.0 3
  116.300 465347.0 46
  133.200 148515.0 15
//